N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methyl-1H-pyrazole-4-carboxamide

C8H10N6O2 — CID 83101088

IUPACN-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCOc1n[nH]c(NC(=O)c2cn[nH]c2C)n1
InChIInChI=1S/C8H10N6O2/c1-4-5(3-9-12-4)6(15)10-7-11-8(16-2)14-13-7/h3H,1-2H3,(H,9,12)(H2,10,11,13,14,15)
InChIKeyBGPWWQGUIMRPNB-UHFFFAOYSA-N
MW222.21 g/mol
LogP0.10
Rot. Bonds3

About N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methyl-1H-pyrazole-4-carboxamide

N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 83101088) has the molecular formula C8H10N6O2 and a molecular weight of 222.21 g/mol. Its IUPAC name is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID83101088
Molecular FormulaC8H10N6O2
Molecular Weight222.21 g/mol
Exact Mass222.09
IUPAC NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCOc1n[nH]c(NC(=O)c2cn[nH]c2C)n1
InChIInChI=1S/C8H10N6O2/c1-4-5(3-9-12-4)6(15)10-7-11-8(16-2)14-13-7/h3H,1-2H3,(H,9,12)(H2,10,11,13,14,15)
InChIKeyBGPWWQGUIMRPNB-UHFFFAOYSA-N
XLogP0.10
TPSA108.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methyl-1H-pyrazole-4-carboxamide (CID 83101088) is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methyl-1H-pyrazole-4-carboxamide is COc1n[nH]c(NC(=O)c2cn[nH]c2C)n1.
What is the InChIKey of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is BGPWWQGUIMRPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O2/c1-4-5(3-9-12-4)6(15)10-7-11-8(16-2)14-13-7/h3H,1-2H3,(H,9,12)(H2,10,11,13,14,15).
What are the key properties of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methyl-1H-pyrazole-4-carboxamide?
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 222.21 g/mol, XLogP of 0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 83101088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).